7WKJ
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![BU of 7wkj by Molmil](/molmil-images/mine/7wkj) | A COVID-19 T-cell response detection method based on a newly identified human CD8+ T cell epitope from SARS-CoV-2-Hubei Province, 2021. | Descriptor: | Beta-2-microglobulin, LYS-THR-PHE-PRO-PRO-THR-GLU-PRO-LYS, MHC class I antigen | Authors: | Zhang, J, Lu, D, Li, M, Liu, M.S, Yao, S.J, Zhan, J.B, Liu, J, Gao, G.F. | Deposit date: | 2022-01-10 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A COVID-19 T-Cell Response Detection Method Based on a Newly Identified Human CD8 + T Cell Epitope from SARS-CoV-2 - Hubei Province, China, 2021. China CDC Wkly, 4, 2022
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6AHZ
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![BU of 6ahz by Molmil](/molmil-images/mine/6ahz) | The NMR Structure of the Polysialyltranseferase Domain (PSTD) in Polysialyltransferase ST8siaIV | Descriptor: | CMP-N-acetylneuraminate-poly-alpha-2,8-sialyltransferase | Authors: | Liu, X.H, Lu, B, Peng, L.X, Liao, S.M, Zhou, F, Chen, D, Lu, Z.L, Zhou, G.P, Huang, R.B. | Deposit date: | 2018-08-21 | Release date: | 2018-10-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Inhibition of Polysialyltranseferase ST8SiaIV Through Heparin Binding to Polysialyltransferase Domain (PSTD). Med Chem, 15, 2019
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7WSJ
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![BU of 7wsj by Molmil](/molmil-images/mine/7wsj) | Crystal structure of the tandem B-box domain of Arabidopsis thaliana CONSTANS | Descriptor: | ZINC ION, Zinc finger protein CONSTANS | Authors: | Dahal, P, Pathak, D, Kwon, E, Kim, D.Y. | Deposit date: | 2022-01-29 | Release date: | 2022-03-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a tandem B-box domain from Arabidopsis CONSTANS. Biochem.Biophys.Res.Commun., 599, 2022
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7W1N
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![BU of 7w1n by Molmil](/molmil-images/mine/7w1n) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KRP | Descriptor: | 1,2-ETHANEDIOL, BICINE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-19 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W44
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![BU of 7w44 by Molmil](/molmil-images/mine/7w44) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_RIP | Descriptor: | 1,2-ETHANEDIOL, IMIDAZOLE, Leaf-branch compost cutinase | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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7W45
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![BU of 7w45 by Molmil](/molmil-images/mine/7w45) | Complex structure of a leaf-branch compost cutinase variant LCC ICCG_KIP | Descriptor: | CALCIUM ION, Leaf-branch compost cutinase, SODIUM ION | Authors: | Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T. | Deposit date: | 2021-11-26 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy. Acs Catalysis, 12, 2022
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6ARD
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![BU of 6ard by Molmil](/molmil-images/mine/6ard) | |
6ARK
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![BU of 6ark by Molmil](/molmil-images/mine/6ark) | Crystal Structure of compound 10 covalently bound to K-Ras G12C | Descriptor: | (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide, GLYCEROL, GTPase KRas, ... | Authors: | Nnadi, C.I, Jenkins, M.L, Gentile, D.R, Bateman, L.A, Zaidman, D, Balius, T.E, Nomura, D.K, Burke, J.E, Shokat, K.M, London, N. | Deposit date: | 2017-08-22 | Release date: | 2018-01-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Novel K-Ras G12C Switch-II Covalent Binders Destabilize Ras and Accelerate Nucleotide Exchange. J Chem Inf Model, 58, 2018
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2FVM
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![BU of 2fvm by Molmil](/molmil-images/mine/2fvm) | |
7QUE
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![BU of 7que by Molmil](/molmil-images/mine/7que) | The STK17A (DRAK1) Kinase Domain Bound to CKJB68 | Descriptor: | Serine/threonine-protein kinase 17A, ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | Authors: | Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C.G, Amrhein, J.A, Hanke, T, Knapp, S. | Deposit date: | 2022-01-17 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles. J.Med.Chem., 65, 2022
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7QE7
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![BU of 7qe7 by Molmil](/molmil-images/mine/7qe7) | High-resolution structure of the Anaphase-promoting complex/cyclosome (APC/C) bound to co-activator Cdh1 | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Hoefler, A, Yu, J, Chang, L, Zhang, Z, Yang, J, Boland, A, Barford, D. | Deposit date: | 2021-12-01 | Release date: | 2022-01-26 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | High-resolution structure of the Anaphase-promoting complex (APC/C) bound to co-activator Cdh1 To Be Published
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7QUF
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![BU of 7quf by Molmil](/molmil-images/mine/7quf) | The STK17A (DRAK1) Kinase Domain Bound to CK156 | Descriptor: | Serine/threonine-protein kinase 17A, ~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide | Authors: | Mathea, S, Preuss, F, Chatterjee, D, Dederer, V, Kurz, C, Hanke, T, Knapp, S. | Deposit date: | 2022-01-17 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Illuminating the Dark: Highly Selective Inhibition of Serine/Threonine Kinase 17A with Pyrazolo[1,5- a ]pyrimidine-Based Macrocycles. J.Med.Chem., 65, 2022
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7W7F
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![BU of 7w7f by Molmil](/molmil-images/mine/7w7f) | Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Li, X. | Deposit date: | 2021-12-04 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist. Nat Commun, 13, 2022
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7QF2
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![BU of 7qf2 by Molmil](/molmil-images/mine/7qf2) | Structure of miniSOG reconstituted with riboflavin as a cofactor | Descriptor: | CHLORIDE ION, COBALT (II) ION, GLYCEROL, ... | Authors: | Lafaye, C, Aumonier, S, von Stetten, D, Noirclerc-Savoye, N, Gotthard, G, Royant, A. | Deposit date: | 2021-12-03 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Riboflavin-binding proteins for singlet oxygen production. Photochem Photobiol Sci, 21, 2022
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7QF4
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![BU of 7qf4 by Molmil](/molmil-images/mine/7qf4) | Structure of the R57Q mutant of miniSOG expressed in E. coli in LB medium enriched with riboflavin | Descriptor: | CHLORIDE ION, COBALT (II) ION, RIBOFLAVIN, ... | Authors: | Lafaye, C, Aumonier, S, von Stetten, D, Noirclerc-Savoye, N, Gotthard, G, Royant, A. | Deposit date: | 2021-12-03 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Riboflavin-binding proteins for singlet oxygen production. Photochem Photobiol Sci, 21, 2022
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7QF3
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![BU of 7qf3 by Molmil](/molmil-images/mine/7qf3) | Structure of the R57Q mutant of miniSOG expressed in E. coli in regular LB medium | Descriptor: | CHLORIDE ION, COBALT (II) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Lafaye, C, Aumonier, S, von Stetten, D, Noirclerc-Savoye, N, Gotthard, G, Royant, A. | Deposit date: | 2021-12-03 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Riboflavin-binding proteins for singlet oxygen production. Photochem Photobiol Sci, 21, 2022
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7W77
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![BU of 7w77 by Molmil](/molmil-images/mine/7w77) | cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Li, X. | Deposit date: | 2021-12-03 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist. Nat Commun, 13, 2022
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7QF5
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![BU of 7qf5 by Molmil](/molmil-images/mine/7qf5) | Structure of the Q103L mutant of miniSOG | Descriptor: | CHLORIDE ION, COBALT (II) ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Lafaye, C, Aumonier, S, von Stetten, D, Noirclerc-Savoye, N, Gotthard, G, Royant, A. | Deposit date: | 2021-12-03 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Riboflavin-binding proteins for singlet oxygen production. Photochem Photobiol Sci, 21, 2022
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6ARP
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![BU of 6arp by Molmil](/molmil-images/mine/6arp) | Structure of a mutant Cetuximab Fab fragment | Descriptor: | Cetuximab mutant Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Cetuximab mutant light chain,Uncharacterized protein, GLYCEROL, ... | Authors: | Christie, M, Christ, D. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a mutant Cetuximab Fab fragment To Be Published
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6ASH
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![BU of 6ash by Molmil](/molmil-images/mine/6ash) | Crystal structure of human Cathepsin K with a non-active site inhibitor at 1.42 Angstrom resolution | Descriptor: | 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | Deposit date: | 2017-08-24 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.423 Å) | Cite: | Crystal structure of human Cathepsin K with a non-active site inhibitor at 1.42 Angstrom resolution. To Be Published
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7QHB
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![BU of 7qhb by Molmil](/molmil-images/mine/7qhb) | Active state of GluA1/2 in complex with TARP gamma 8, L-glutamate and CTZ | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, CYCLOTHIAZIDE, ... | Authors: | Herguedas, B, Kohegyi, B, Zhang, D, Greger, I.H. | Deposit date: | 2021-12-11 | Release date: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor. Nat Commun, 13, 2022
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7QHH
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![BU of 7qhh by Molmil](/molmil-images/mine/7qhh) | Desensitized state of GluA1/2 AMPA receptor in complex with TARP-gamma 8 (TMD-LBD) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, GLUTAMIC ACID, ... | Authors: | Herguedas, B, Kohegyi, B, Dohrke, J.N, Watson, J.F, Zhang, D, Ho, H, Shaikh, S, Lape, R, Krieger, J.M, Greger, I.H. | Deposit date: | 2021-12-12 | Release date: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanisms underlying TARP modulation of the GluA1/2-gamma 8 AMPA receptor. Nat Commun, 13, 2022
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6AVQ
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![BU of 6avq by Molmil](/molmil-images/mine/6avq) | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha-V beta-3 Integrin via Steric Hindrance | Descriptor: | Integrin alpha-V, Integrin beta-3, LM609 Fab heavy chain, ... | Authors: | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | Deposit date: | 2017-09-04 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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6AVR
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![BU of 6avr by Molmil](/molmil-images/mine/6avr) | Human alpha-V beta-3 Integrin (intermediate conformation) in complex with the therapeutic antibody LM609 | Descriptor: | Fab LM609 heavy chain, Fab LM609 light chain, Integrin alpha-V, ... | Authors: | Borst, A.J, James, Z.N, Zagotta, W.N, Ginsberg, M, Rey, F.A, DiMaio, F, Backovic, M, Veesler, D. | Deposit date: | 2017-09-04 | Release date: | 2017-11-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (35 Å) | Cite: | The Therapeutic Antibody LM609 Selectively Inhibits Ligand Binding to Human alpha V beta 3 Integrin via Steric Hindrance. Structure, 25, 2017
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2GD3
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![BU of 2gd3 by Molmil](/molmil-images/mine/2gd3) | NMR structure of S14G-humanin in 30% TFE solution | Descriptor: | Humanin | Authors: | Benaki, D, Zikos, C, Evangelou, A, Livaniou, E, Vlassi, M, Mikros, E, Pelecanou, M. | Deposit date: | 2006-03-15 | Release date: | 2006-09-19 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of Ser14Gly-humanin, a potent rescue factor against neuronal cell death in Alzheimer's disease. Biochem.Biophys.Res.Commun., 349, 2006
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